| Single-Layered Hittorf’s Phosphorus: A Wide-Bandgap High Mobility 2D Material G Schusteritsch, M Uhrin, CJ Pickard Nano letters 16 (5), 2975-2980, 2016 | 238 | 2016 |
| Two Dimensional Ice from First Principles: Structures and Phase Transitions J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides Physical review letters 116 (2), 025501, 2016 | 229 | 2016 |
| Predicting interface structures: From SrTiO 3 to graphene G Schusteritsch, CJ Pickard Physical Review B 90 (3), 035424, 2014 | 74 | 2014 |
| Qualitative link between work of adhesion and thermal conductance of metal/diamond interfaces C Monachon, G Schusteritsch, E Kaxiras, L Weber Journal of Applied Physics 115 (12), 123509, 2014 | 60 | 2014 |
| Double-layer ice from first principles J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides Physical Review B 95 (9), 094121, 2017 | 45 | 2017 |
| Sulfur-induced embrittlement of nickel: a first-principles study G Schusteritsch, E Kaxiras Modelling and Simulation in Materials Science and Engineering 20 (6), 065007, 2012 | 36 | 2012 |
| Determining interface structures in vertically aligned nanocomposite films B Zhu, G Schusteritsch, P Lu, JL MacManus-Driscoll, CJ Pickard APL Materials 7 (6), 061105, 2019 | 24 | 2019 |
| Structure-specific mode-resolved phonon coherence and specularity at graphene grain boundaries ZY Ong, G Schusteritsch, CJ Pickard Physical Review B 101 (19), 195410, 2020 | 15 | 2020 |
| First-principles structure determination of interface materials: The Ni x InAs nickelides G Schusteritsch, SP Hepplestone, CJ Pickard Physical Review B 92 (5), 054105, 2015 | 15 | 2015 |
| Anataselike Grain Boundary Structure in Rutile Titanium Dioxide G Schusteritsch, R Ishikawa, AR Elmaslmane, K Inoue, KP McKenna, ... Nano letters 21 (7), 2745-2751, 2021 | 12 | 2021 |
| The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper G Schusteritsch, TD Kühne, ZX Guo, E Kaxiras Philosophical Magazine 96 (27), 2868–2886, 2016 | 11 | 2016 |
| The discontinuous effect of pressure on twin boundary strength in MgO J Van Driel, G Schusteritsch, JP Brodholt, DP Dobson, CJ Pickard Physics and Chemistry of Minerals 47 (2), 1-11, 2020 | 2 | 2020 |
| Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces B Zhu, G Schusteritsch, W Li, W Xing, R Yu, CJ Pickard, ... Applied Physics Reviews 11 (2), 2024 | | 2024 |
